N-(4-fluoro-2-methylphenyl)-N,1,3-trimethylpiperidin-4-amine

C15H23FN2 — CID 169123371

IUPACN-(4-fluoro-2-methylphenyl)-N,1,3-trimethylpiperidin-4-amine
SMILESCc1cc(F)ccc1N(C)C1CCN(C)CC1C
InChIInChI=1S/C15H23FN2/c1-11-9-13(16)5-6-14(11)18(4)15-7-8-17(3)10-12(15)2/h5-6,9,12,15H,7-8,10H2,1-4H3
InChIKeyCUCYTYXWSHLOQF-UHFFFAOYSA-N
MW250.36 g/mol
LogP2.91
Rot. Bonds2

About N-(4-fluoro-2-methylphenyl)-N,1,3-trimethylpiperidin-4-amine

N-(4-fluoro-2-methylphenyl)-N,1,3-trimethylpiperidin-4-amine (PubChem CID 169123371) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-N,1,3-trimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-N,1,3-trimethylpiperidin-4-amine
PubChem CID169123371
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC NameN-(4-fluoro-2-methylphenyl)-N,1,3-trimethylpiperidin-4-amine
SMILESCc1cc(F)ccc1N(C)C1CCN(C)CC1C
InChIInChI=1S/C15H23FN2/c1-11-9-13(16)5-6-14(11)18(4)15-7-8-17(3)10-12(15)2/h5-6,9,12,15H,7-8,10H2,1-4H3
InChIKeyCUCYTYXWSHLOQF-UHFFFAOYSA-N
XLogP2.91
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;N-(4-fluoro-2-methylphenyl)-N,1,3-trimethylpiperidin-4-amine
CID 169123370
(3S,4R)-N,1,3-trimethyl-N-[4-(trifluoromethoxy)phenyl]piperidin-4-amine
CID 170208259
(3R,4R)-N,1,3-trimethyl-N-(4-nitro-2-pyrrolidin-1-ylsulfonylphenyl)piperidin-4-amine
CID 98773617
N-[2-(chloromethyl)-4-fluorophenyl]-N,1-dimethylpiperidin-4-amine
CID 43313518
N-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-N,2,7-trimethylquinoline-3-carboxamide
CID 98772445
3-[(1S)-1-(2,5-dimethylphenyl)ethyl]-1-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-1-methylurea
CID 129424697
N-[3-(difluoromethoxy)-4-nitrophenyl]-N,1,3-trimethylpiperidin-4-amine
CID 133429286
N-[2-(chloromethyl)-4-fluorophenyl]-N,1-dimethylpiperidin-3-amine
CID 62546260
N-(1,3-dimethylpiperidin-4-yl)-N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 133461721
N-(4-chlorophenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)-1-methylpiperidin-4-amine
CID 142212438
2-[(1S)-1-aminoethyl]-4-fluoro-N-methyl-N-(2-methylcyclohexyl)aniline
CID 55189609
1-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-1-methyl-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 95784312

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-N,1,3-trimethylpiperidin-4-amine?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-N,1,3-trimethylpiperidin-4-amine (CID 169123371) is N-(4-fluoro-2-methylphenyl)-N,1,3-trimethylpiperidin-4-amine.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-N,1,3-trimethylpiperidin-4-amine?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-N,1,3-trimethylpiperidin-4-amine is Cc1cc(F)ccc1N(C)C1CCN(C)CC1C.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-N,1,3-trimethylpiperidin-4-amine?
The InChIKey is CUCYTYXWSHLOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-11-9-13(16)5-6-14(11)18(4)15-7-8-17(3)10-12(15)2/h5-6,9,12,15H,7-8,10H2,1-4H3.
What are the key properties of N-(4-fluoro-2-methylphenyl)-N,1,3-trimethylpiperidin-4-amine?
N-(4-fluoro-2-methylphenyl)-N,1,3-trimethylpiperidin-4-amine has a molecular weight of 250.36 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-N,1,3-trimethylpiperidin-4-amine is sourced from PubChem (CID 169123371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).